Sr4LiMn2Cu3(SO)4
Alexandria ALEXAlex-ID: agm005272908 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D4E4F4_7_spg1
SrSO4 LiMn2O3 SrS Cu
2023-05-07 18:29:17.262133
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005272908).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm005272908
data_agm005272908
_cell_length_a 5.89047
_cell_length_b 6.51453
_cell_length_c 8.99845
_cell_angle_alpha 107.84489
_cell_angle_beta 90.62894
_cell_angle_gamma 92.13568
_cell_volume 328.37102
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sr1 Sr 0.99998 0.67084 0.25700 1.00000
Sr2 Sr 0.48181 0.15229 0.17143 1.00000
Sr3 Sr 0.48395 0.85876 0.74425 1.00000
Sr4 Sr 0.02075 0.29409 0.83475 1.00000
Li1 Li 0.93644 0.15315 0.09871 1.00000
Mn1 Mn 0.53609 0.59281 0.02897 1.00000
Mn2 Mn 0.01326 0.80023 0.89783 1.00000
Cu1 Cu 0.75263 0.05866 0.48909 1.00000
Cu2 Cu 0.32375 0.12131 0.49106 1.00000
Cu3 Cu 0.82217 0.46413 0.55977 1.00000
S1 S 0.96426 0.81051 0.62361 1.00000
S2 S 0.53884 0.34297 0.69497 1.00000
S3 S 0.49148 0.79196 0.35421 1.00000
S4 S 0.02389 0.21569 0.36933 1.00000
O1 O 0.75826 0.38099 0.07230 1.00000
O2 O 0.19532 0.62360 0.00052 1.00000
O3 O 0.70303 0.87073 0.99470 1.00000
O4 O 0.20410 0.08272 0.96748 1.00000
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